A Theoretical Application of Click Reaction To Obtain Heterotricyclic Compounds

Abstract

1,3-dipolar cycloaddition reactions are the ones which have been widely used for many years in the synthesis of five-membered heterocyclic compounds, take an important place in synthetic organic chemistry. Even though they are very useful, they have been used in the synthesis of significant natural products since early 1980s. In this study, we examined intramolecular synthesis of tricyclic products with the Click Reaction mechanisms, theoretically. The use of azide substituted five and six membered cyclic starting materials and provided obtaining heterotricyclic compounds in one step. Derivatization was performed by changing the ring size (m) and varying substituent (R). The reaction coordinates for all reactions were formed upon finding intermediates and transition states.